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126877-68-7 | Isoxazolo[4,5-e]-2,1,3-benzoxadiazole (9CI)
CAS No: 126877-68-7 Catalog No: AG000TEG MDL No:
Product Description
Catalog Number:
AG000TEG
Chemical Name:
Isoxazolo[4,5-e]-2,1,3-benzoxadiazole (9CI)
CAS Number:
126877-68-7
Molecular Formula:
C7H3N3O2
Molecular Weight:
161.1176
IUPAC Name:
[1,2]oxazolo[5,4-g][2,1,3]benzoxadiazole
InChI:
InChI=1S/C7H3N3O2/c1-2-6-4(3-8-11-6)7-5(1)9-12-10-7/h1-3H
InChI Key:
BAOCZPOTAQWLOL-UHFFFAOYSA-N
SMILES:
n1oc2c(c1)c1nonc1cc2
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.023g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.12g/mol
Monoisotopic Mass:
161.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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